IFLAB-ZINC04248807 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 0.0680 1.2620 0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.0090 0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -0.6410 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 -0.0480 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5200 -0.6880 0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -1.9250 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 -2.5220 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -1.8750 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 -3.7350 -1.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -4.2860 -1.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8990 -2.5750 0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0340 -1.8580 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9880 -0.6460 0.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3610 -2.5620 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6840 -1.3350 0.4160 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.0800 -2.4040 0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0460 -3.7160 0.5290 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.2960 -4.1940 0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1400 -3.1520 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3750 -2.0090 0.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.8640 -0.6290 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0570 -0.0970 -0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2740 -0.2530 -1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4520 0.2340 -2.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4110 0.8780 -3.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1930 1.0340 -2.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0180 0.5510 -1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6330 1.4900 -4.8240 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 1.6550 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 1.9520 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 1.1470 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 0.9150 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 -0.2240 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -2.3340 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -3.6120 -2.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -4.4160 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -5.2530 -2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9420 -3.5400 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5290 -3.1780 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3560 -3.1940 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5750 -5.2370 0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2140 -3.2020 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8140 -0.6050 1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1360 -0.0110 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0860 -0.7560 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4020 0.1120 -3.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3800 1.5360 -3.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0690 0.6760 -0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 M END